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"id": "mp-1181233",
"created_at": "2022-09-04T14:39:22.557308Z",
"structure_string": "Mg4 B16 O64\n1.0\n15.282034 0.000000 0.000000\n0.000000 7.153047 0.000000\n0.000000 1.420829 11.293693\nMg B O\n4 16 64\ndirect\n0.657994 0.577207 0.608868 Mg\n0.157994 0.422793 0.891132 Mg\n0.342006 0.422793 0.391132 Mg\n0.842006 0.577207 0.108868 Mg\n0.639595 0.282489 0.844732 B\n0.139595 0.717511 0.655268 B\n0.360405 0.717511 0.155268 B\n0.860405 0.282489 0.344732 B\n0.014076 0.131967 0.819755 B\n0.514076 0.868033 0.680245 B\n0.985924 0.868033 0.180245 B\n0.485924 0.131967 0.319755 B\n0.553731 0.201014 0.667945 B\n0.053731 0.798986 0.832055 B\n0.446269 0.798986 0.332055 B\n0.946269 0.201014 0.167945 B\n0.747386 0.546360 0.864834 B\n0.247386 0.453640 0.635166 B\n0.252614 0.453640 0.135166 B\n0.752614 0.546360 0.364834 B\n0.579891 0.760168 0.661877 O\n0.079891 0.239832 0.838123 O\n0.420109 0.239832 0.338123 O\n0.920109 0.760168 0.161876 O\n0.690512 0.434438 0.802168 O\n0.190512 0.565562 0.697832 O\n0.309488 0.565562 0.197832 O\n0.809488 0.434438 0.302168 O\n0.771670 0.713103 0.670629 O\n0.271670 0.286897 0.829371 O\n0.228330 0.286897 0.329371 O\n0.728330 0.713103 0.170629 O\n0.784506 0.085593 0.087583 O\n0.284506 0.914407 0.412417 O\n0.215494 0.914407 0.912417 O\n0.715494 0.085593 0.587583 O\n0.730526 0.530043 0.474716 O\n0.230526 0.469957 0.025284 O\n0.269474 0.469957 0.525284 O\n0.769474 0.530043 0.974716 O\n0.701628 0.015828 0.495560 O\n0.201628 0.984172 0.004440 O\n0.298372 0.984172 0.504440 O\n0.798372 0.015828 0.995560 O\n0.593189 0.173017 0.781068 O\n0.093189 0.826983 0.718932 O\n0.406811 0.826983 0.218932 O\n0.906811 0.173017 0.281068 O\n0.506881 0.542825 0.845978 O\n0.006881 0.457175 0.654022 O\n0.493119 0.457175 0.154022 O\n0.993119 0.542825 0.345978 O\n0.637350 0.235170 0.972933 O\n0.137350 0.764830 0.527067 O\n0.362650 0.764830 0.027067 O\n0.862650 0.235170 0.472933 O\n0.410087 0.916162 0.989041 O\n0.910087 0.083838 0.510959 O\n0.589913 0.083838 0.010959 O\n0.089913 0.916162 0.489041 O\n0.936089 0.193530 0.750650 O\n0.436089 0.806470 0.749350 O\n0.063911 0.806470 0.249350 O\n0.563911 0.193530 0.250650 O\n0.935299 0.397648 0.709143 O\n0.435299 0.602352 0.790857 O\n0.064701 0.602352 0.290857 O\n0.564701 0.397648 0.209143 O\n0.003108 0.940771 0.863037 O\n0.503108 0.059229 0.636963 O\n0.996892 0.059229 0.136963 O\n0.496892 0.940771 0.363037 O\n0.928376 0.368149 0.100857 O\n0.428376 0.631851 0.399143 O\n0.071624 0.631851 0.899143 O\n0.571624 0.368149 0.600857 O\n0.789398 0.700658 0.787000 O\n0.289398 0.299342 0.713000 O\n0.210602 0.299342 0.213000 O\n0.710602 0.700658 0.287000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 1.7407165015365047,
"density_atomic": 0.0680410595376436,
"volume": 1234.5486765021221,
"volume_molar": 8.850745124961291,
"formula_full": "Mg4 B16 O64",
"formula_reduced": "Mg(BO4)4",
"formula_anonymous": "AB4C16",
"energy": -518.92755416,
"energy_per_atom": -6.177708978095238,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -518.92755416,
"band_gap": 0.0464,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 19.9979689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.803000Z",
"spacegroup": 14
}
]
}